5-Amino-1H-pyrazole-3-carboxylic acid - CAS 124004-31-5

Catalog:	BB005780
Product Name:	5-Amino-1H-pyrazole-3-carboxylic acid
CAS:	124004-31-5
Synonyms:	3-amino-1H-pyrazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-amino-1H-pyrazole-5-carboxylic acid
Description:	5-Amino-1H-pyrazole-3-carboxylic acid (CAS# 124004-31-5) is a reagent used in the preparation of pyrazoles and triazoles as inhibitors of human 15-lipooxygenase-1.
Molecular Weight:	127.10
Molecular Formula:	C4H5N3O2
Canonical SMILES:	C1=C(NN=C1N)C(=O)O
InChI:	InChI=1S/C4H5N3O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,8,9)(H3,5,6,7)
InChI Key:	ICASMSGEUGPHGI-UHFFFAOYSA-N
Boiling Point:	561.2 °C at 760 mmHg
Density:	1.677 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09263793
LogP:	0.27130

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	92 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3